Compound Detail
CHEMBL1672549
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Basic Information
| ChEMBL ID | CHEMBL1672549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFRVNOIAPBNRJM-CQSZACIVSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.52
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.08
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 8.0 | 8.0 | 9.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.11 | 6.11 | 780.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | Ki | 5.84 | 5.84 | 1440.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.59 | 5.59 | 2550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 0.834 | nM | 9.08 | Displacement of [3H]methyltrienolone from human progesterone receptor expressed ... | 24900294 |
| Progesterone receptor | IC50 | = | 9.92 | nM | 8.0 | Antagonist activity at human progesterone receptor expressed in HEK293 cells ass... | 24900294 |
| Glucocorticoid receptor | Ki | = | 780.0 | nM | 6.11 | Displacement of [3H]methyltrienolone from human glucocorticoid receptor expresse... | 24900294 |
| Mineralocorticoid receptor | Ki | = | 1440.0 | nM | 5.84 | Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expre... | 24900294 |
| Androgen receptor | Ki | = | 2550.0 | nM | 5.59 | Displacement of [3H]methyltrienolone from human androgen receptor expressed in H... | 24900294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900294 | 10.1021/ml100220b | Mineralocorticoid receptor | 3 |
| 24900294 | 10.1021/ml100220b | Progesterone receptor | 3 |
| 24900294 | 10.1021/ml100220b | Glucocorticoid receptor | 1 |
| 24900294 | 10.1021/ml100220b | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine